2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}acetamide
Chemical Structure Depiction of
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}acetamide
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}acetamide
Compound characteristics
| Compound ID: | C095-0473 |
| Compound Name: | 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}acetamide |
| Molecular Weight: | 501.55 |
| Molecular Formula: | C25 H27 N9 O3 |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(Cn1c(C)c(c(C)n1)[N+]([O-])=O)=O)N1CCN(CC1)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9682 |
| logD: | 3.9679 |
| logSw: | -4.1226 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.318 |
| InChI Key: | GKKNADBAILCZBM-UHFFFAOYSA-N |